D
Duane D. Johnson
Researcher at United States Department of Energy
Publications - 327
Citations - 10464
Duane D. Johnson is an academic researcher from United States Department of Energy. The author has contributed to research in topics: Density functional theory & Antiferromagnetism. The author has an hindex of 47, co-authored 301 publications receiving 8672 citations. Previous affiliations of Duane D. Johnson include United States Naval Research Laboratory & Iowa State University.
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A generalized solid-state nudged elastic band method.
Daniel Sheppard,Penghao Xiao,William D. Chemelewski,William D. Chemelewski,Duane D. Johnson,Duane D. Johnson,Duane D. Johnson,Graeme Henkelman +7 more
TL;DR: A generalized solid-state nudged elastic band (G-SSNEB) method is presented for determining reaction pathways of solid-solid transformations involving both atomic and unit-cell degrees of freedom and it is demonstrated that the method is robust for mechanisms dominated either by atomic motion or by unit- cell deformation.
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Modified Broyden’s method for accelerating convergence in self-consistent calculations
TL;DR: A modification to Broyden's method for obtaining stable and computationally efficient convergence in self-consistent calculations is developed and discussed and is shown to be much improved in stability and rate of convergence.
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Recycling Krylov Subspaces for Sequences of Linear Systems
TL;DR: This work proposes and analyzes two methods that significantly reduce the total number of matrix-vector products required to solve all systems and can reduce the cost of solving subsequent systems in the sequence by recycling selected subspaces generated for previous systems.
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Predicting twinning stress in fcc metals: Linking twin-energy pathways to twin nucleation
TL;DR: In this article, a hierarchical theory was proposed to predict critical twinning stress in face-centered cubic metals without any empiricism at any length scale, and the theory predicts a monotonic relation between the unstable twin stacking fault energy and twin nucleation stress revealing the physics of twinning.
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Predicted trends of core-shell preferences for 132 late transition-metal binary-alloy nanoparticles.
Lin-Lin Wang,Duane D. Johnson +1 more
TL;DR: This work investigates 132 binary-alloyed nanoparticle systems using density functional theory (DFT) and systematically explore their segregation energies to determine core-shell preferences, and provides a universal description of core- shell preference via tight-binding theory (band-energy differences) that quantitatively reproduces the DFT segregation energies.